[1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane

C11H24O4Si — CID 173157822

IUPAC[1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane
SMILESCCOC([SiH3])(OCC)C(CC)OCC1CO1
InChIInChI=1S/C11H24O4Si/c1-4-10(13-8-9-7-12-9)11(16,14-5-2)15-6-3/h9-10H,4-8H2,1-3,16H3
InChIKeyJPSWASBWKFTAID-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.27
Rot. Bonds9

About [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane

[1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane (PubChem CID 173157822) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane.

Molecular Properties

Compound Name[1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane
PubChem CID173157822
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name[1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane
SMILESCCOC([SiH3])(OCC)C(CC)OCC1CO1
InChIInChI=1S/C11H24O4Si/c1-4-10(13-8-9-7-12-9)11(16,14-5-2)15-6-3/h9-10H,4-8H2,1-3,16H3
InChIKeyJPSWASBWKFTAID-UHFFFAOYSA-N
XLogP0.27
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-ethyl-5-(oxiran-2-ylmethoxy)-4-[1-(oxiran-2-ylmethoxy)propyl]heptan-3-yl]oxymethyl]oxirane
CID 87949795
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344
2-(1-chlorobutan-2-yloxymethyl)oxirane
CID 58763744
4-(oxiran-2-ylmethoxy)hexylsilane
CID 174850618
hydroxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 173054354
CID 18963638
CID 18963638
diethoxy-methyl-[(1S)-1-(oxiran-2-ylmethoxy)-1-silylpropan-2-yl]silane
CID 175014951
1-(oxiran-2-ylmethoxy)propyl-dipropoxysilane
CID 123534416
triethyl 1-(oxiran-2-ylmethoxy)propyl silicate
CID 87343649
2-(1-iodoethoxymethyl)oxirane
CID 89194519

Frequently Asked Questions

What is the IUPAC name of [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane?
The IUPAC name of [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane (CID 173157822) is [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane.
What is the SMILES notation for [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane?
The canonical SMILES for [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane is CCOC([SiH3])(OCC)C(CC)OCC1CO1.
What is the InChIKey of [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane?
The InChIKey is JPSWASBWKFTAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-4-10(13-8-9-7-12-9)11(16,14-5-2)15-6-3/h9-10H,4-8H2,1-3,16H3.
What are the key properties of [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane?
[1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane has a molecular weight of 248.39 g/mol, XLogP of 0.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane is sourced from PubChem (CID 173157822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).